N-ethyl-N-(4-methylhex-5-enyl)methanesulfonamide

C10H21NO2S — CID 88991696

IUPACN-ethyl-N-(4-methylhex-5-enyl)methanesulfonamide
SMILESC=CC(C)CCCN(CC)S(C)(=O)=O
InChIInChI=1S/C10H21NO2S/c1-5-10(3)8-7-9-11(6-2)14(4,12)13/h5,10H,1,6-9H2,2-4H3
InChIKeyRBISRNGHSJSOQM-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.87
Rot. Bonds7

About N-ethyl-N-(4-methylhex-5-enyl)methanesulfonamide

N-ethyl-N-(4-methylhex-5-enyl)methanesulfonamide (PubChem CID 88991696) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-ethyl-N-(4-methylhex-5-enyl)methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(4-methylhex-5-enyl)methanesulfonamide
PubChem CID88991696
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-ethyl-N-(4-methylhex-5-enyl)methanesulfonamide
SMILESC=CC(C)CCCN(CC)S(C)(=O)=O
InChIInChI=1S/C10H21NO2S/c1-5-10(3)8-7-9-11(6-2)14(4,12)13/h5,10H,1,6-9H2,2-4H3
InChIKeyRBISRNGHSJSOQM-UHFFFAOYSA-N
XLogP1.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-methylhex-5-enyl)methanesulfonamide?
The IUPAC name of N-ethyl-N-(4-methylhex-5-enyl)methanesulfonamide (CID 88991696) is N-ethyl-N-(4-methylhex-5-enyl)methanesulfonamide.
What is the SMILES notation for N-ethyl-N-(4-methylhex-5-enyl)methanesulfonamide?
The canonical SMILES for N-ethyl-N-(4-methylhex-5-enyl)methanesulfonamide is C=CC(C)CCCN(CC)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-(4-methylhex-5-enyl)methanesulfonamide?
The InChIKey is RBISRNGHSJSOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-5-10(3)8-7-9-11(6-2)14(4,12)13/h5,10H,1,6-9H2,2-4H3.
What are the key properties of N-ethyl-N-(4-methylhex-5-enyl)methanesulfonamide?
N-ethyl-N-(4-methylhex-5-enyl)methanesulfonamide has a molecular weight of 219.35 g/mol, XLogP of 1.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-methylhex-5-enyl)methanesulfonamide is sourced from PubChem (CID 88991696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).